SCHEMBL17413192

SCHEMBL17413192

C=CC(=O)Nc1cccc(Sc2cnc3[nH]cc(C(=O)N[C@@H](C)C(=O)O)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.42
ITK Q08881 4/20 0.42
JAK3 P52333 13/20 0.42
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
PLCG1 P19174 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17413145 0.92 JAK3 (0.49) JAK3JAK2JAK1
SCHEMBL17413229 0.82 JAK3 (0.61) BTKITKJAK3JAK2JAK1
SCHEMBL17413194 0.81 JAK3 (0.43) JAK3JAK2JAK1
SCHEMBL17412969 0.76 BTK (0.59) BTKITKJAK3JAK2JAK1
SCHEMBL17412995 0.76 BTK (0.54) BTKITKJAK3PLCG1
SCHEMBL17413148 0.76 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL17412970 0.74 JAK3 (0.70) JAK3JAK2JAK1
SCHEMBL17412953 0.73 BTK (0.51) BTKITKJAK3PLCG1
SCHEMBL17412986 0.72 PLCG1 (0.59) BTKITKJAK3PLCG1
SCHEMBL17413172 0.72 JAK3 (0.59) ITKJAK3JAK2JAK1PLCG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed